SCHEMBL5329362

SCHEMBL5329362

CCN1CCN(C(=O)Cc2ccnc(Nc3nc4ccc(N(C)c5ccc(C)cc5)nc4s3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.40
CLK1 P49759 1/20 0.39
TBK1 Q9UHD2 9/20 0.37
CCNT1 O60563 3/20 0.37
FLT3 P36888 3/20 0.37
CDK9 P50750 3/20 0.37
IKBKE Q14164 3/20 0.37
RPS6KA6 Q9UK32 3/20 0.37
LCK P06239 2/20 0.36
STK17A Q9UEE5 1/20 0.35
HSD11B1 P28845 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5313527 0.92 KDR (0.37) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5309897 0.92 KDR (0.41) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5312193 0.92 ECE2 (0.42) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5312031 0.92 ECE2 (0.41) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5309726 0.91 KDR (0.36) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5314105 0.90 KDR (0.38) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5309998 0.90 LCK (0.41) KDRTBK1LCK
SCHEMBL5313606 0.88 KDR (0.53) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5329616 0.88 KDR (0.35) KDRTBK1CCNT1FLT3CDK9
SCHEMBL5314538 0.87 KDR (0.44) KDRTBK1CCNT1FLT3CDK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO claimed
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed